SCHEMBL22816331

SCHEMBL22816331

C[C@H]1CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
PRKDC P78527 1/20 0.37
TP53 P04637 2/20 0.37
PDK2 Q15119 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 2/20 0.34
LRRK2 Q5S007 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31333718 0.86 LPL (0.37) LPLLIPGLRRK2
SCHEMBL31334694 0.86 LPL (0.37) LPLLIPGLRRK2
SCHEMBL27312501 0.84 LPL (0.41) MAPTALDH1A1LPLLIPGHTT
SCHEMBL1726528 0.84 LPL (0.44) MAPTALDH1A1L3MBTL1LPLLIPG
SCHEMBL1701553 0.84 LPL (0.44) ALDH1A1LPLLIPGKDM4EKMT2A
SCHEMBL2192867 0.83 LPL (0.43) MAPTALDH1A1L3MBTL1LPLLIPG
SCHEMBL3762658 0.83 LPL (0.43) MAPTALDH1A1L3MBTL1LPLLIPG
SCHEMBL16238335 0.82 LPL (0.39) LPLLIPG
SCHEMBL16238337 0.82 LPL (0.39) LPLLIPG
SCHEMBL20911352 0.81 AR (0.40) LPLLIPG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed